1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide

C22H16N2O2 — CID 78802824

IUPAC1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H16N2O2/c25-21-18-12-5-4-10-16(18)14-20(24-21)22(26)23-19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H,(H,23,26)(H,24,25)
InChIKeyKZKGRVFXJCHJRJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.45
Rot. Bonds3

About 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide

1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide (PubChem CID 78802824) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide
PubChem CID78802824
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H16N2O2/c25-21-18-12-5-4-10-16(18)14-20(24-21)22(26)23-19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H,(H,23,26)(H,24,25)
InChIKeyKZKGRVFXJCHJRJ-UHFFFAOYSA-N
XLogP4.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802749
N-(4-tert-butylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 40671457
6-methoxy-N-(2-phenylphenyl)-1H-indole-2-carboxamide
CID 138604809
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
N-(3,4-difluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802764
N-tert-butyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 47111155
N-[2-(4-ethoxyphenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24673182
1-oxo-N-(2-propan-2-ylpyrazol-3-yl)-2H-isoquinoline-3-carboxamide
CID 86978036
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
N-(6-hydroxyhexyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 103919131
1-oxo-N-[4-(2H-tetrazol-5-yl)phenyl]-2H-isoquinoline-3-carboxamide
CID 155946239
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 114751441

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide?
The IUPAC name of 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide (CID 78802824) is 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide?
The InChIKey is KZKGRVFXJCHJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21-18-12-5-4-10-16(18)14-20(24-21)22(26)23-19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H,(H,23,26)(H,24,25).
What are the key properties of 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide?
1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-(2-phenylphenyl)-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 78802824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).